Ab initio calculations at Hartree-Fock and fourth-order Møller-Plesset (MP4) correlation correction levels with 6-31G \* basis set have been performed on the epoxyethane dimer. Dimer binding energies have been corrected for the basis set superposition error (BSSE) and the zero-point energy. The grea
✦ LIBER ✦
A theoretical study on the intermolecular interaction of energetic system—Nitromethane dimer
✍ Scribed by Jin-Shan Li; He-Ming Xiao; Hai-Shan Dong
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 325 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0256-7660
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